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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-2' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hexokinase-2


(Homo sapiens)
BDBM50169013
PNG
(CHEMBL3805703)
Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C15H17Cl2NO6/c16-8-3-1-7(5-9(8)17)2-4-11(20)18-12-14(22)13(21)10(6-19)24-15(12)23/h1-5,10,12-15,19,21-23H,6H2,(H,18,20)/b4-2+/t10-,12-,13-,14-,15?/s2
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2.90E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) assessed as formation of G6P by continuou...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169042
PNG
(CHEMBL3806103)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1/C24H23Cl3N2O8S2/c25-15-9-7-13(8-10-15)14-3-1-4-16(11-14)38(33,34)29-21-23(31)22(30)18(37-24(21)32)12-28-39(35,36)19-6-2-5-17(26)20(19)27/h1-11,18,21-24,28-32H,12H2/t18-,21-,22-,23-,24?/s2
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169037
PNG
(CHEMBL3805205)
Show SMILES Cc1oc(cc1C(O)=O)S(=O)(=O)NC[C@H]1OC(O)[C@H](NC(=O)c2cccc(Br)c2)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19?/s2
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169041
PNG
(CHEMBL3805653)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C24H24Cl2N2O8S2/c25-17-10-5-11-19(20(17)26)38(34,35)27-13-18-22(29)23(30)21(24(31)36-18)28-37(32,33)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12,18,21-24,27-31H,13H2/t18-,21-,22-,23-,24?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169031
PNG
(CHEMBL3805905)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C25H24Cl2N2O7S/c26-17-10-5-11-19(20(17)27)37(34,35)28-13-18-22(30)23(31)21(25(33)36-18)29-24(32)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12,18,21-23,25,28,30-31,33H,13H2,(H,29,32)/t18-,21-,22-,23-,25?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169038
PNG
(CHEMBL3804841)
Show SMILES COc1cc(cc(c1)-c1ccc(cc1)C#N)C(=O)N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C27H25Cl2N3O8S/c1-39-18-10-16(15-7-5-14(12-30)6-8-15)9-17(11-18)26(35)32-23-25(34)24(33)20(40-27(23)36)13-31-41(37,38)21-4-2-3-19(28)22(21)29/h2-11,20,23-25,27,31,33-34,36H,13H2,1H3,(H,32,35)/t20-,23-,24-,25-,27?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169039
PNG
(CHEMBL3806132)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(Cl)s1
Show InChI InChI=1/C17H17Cl3N2O7S2/c18-7-2-1-3-10(12(7)20)31(27,28)21-6-8-14(23)15(24)13(17(26)29-8)22-16(25)9-4-5-11(19)30-9/h1-5,8,13-15,17,21,23-24,26H,6H2,(H,22,25)/t8-,13-,14-,15-,17?/s2
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169043
PNG
(CHEMBL3806095)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C18H18Cl4N2O8S2/c19-9-5-4-8(6-11(9)21)33(28,29)24-15-17(26)16(25)12(32-18(15)27)7-23-34(30,31)13-3-1-2-10(20)14(13)22/h1-6,12,15-18,23-27H,7H2/t12-,15-,16-,17-,18?/s2
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169034
PNG
(CHEMBL3805734)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(c2)C(O)=O)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C26H26N2O9S/c29-22-20(14-27-38(35,36)19-11-5-10-18(13-19)25(32)33)37-26(34)21(23(22)30)28-24(31)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,20-23,26-27,29-30,34H,14H2,(H,28,31)(H,32,33)/t20-,21-,22-,23-,26?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169026
PNG
(CHEMBL3805148)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2ccccc2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C25H25ClN2O7S/c26-18-11-4-5-12-20(18)36(33,34)27-14-19-22(29)23(30)21(25(32)35-19)28-24(31)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-13,19,21-23,25,27,29-30,32H,14H2,(H,28,31)/t19-,21-,22-,23-,25?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169032
PNG
(CHEMBL3805398)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cnccc2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C24H24ClN3O7S/c25-17-9-10-26-13-19(17)36(33,34)27-12-18-21(29)22(30)20(24(32)35-18)28-23(31)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-11,13,18,20-22,24,27,29-30,32H,12H2,(H,28,31)/t18-,20-,21-,22-,24?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169046
PNG
(CHEMBL3805459)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1/C16H17Cl3N2O8S3/c17-7-2-1-3-9(12(7)19)31(25,26)20-6-8-14(22)15(23)13(16(24)29-8)21-32(27,28)11-5-4-10(18)30-11/h1-5,8,13-16,20-24H,6H2/t8-,13-,14-,15-,16?/s2
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169040
PNG
(CHEMBL3804874)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1/C18H19Cl2N3O10S2/c19-11-5-2-6-13(14(11)20)35(31,32)21-8-12-16(24)17(25)15(18(26)33-12)22-34(29,30)10-4-1-3-9(7-10)23(27)28/h1-7,12,15-18,21-22,24-26H,8H2/t12-,15-,16-,17-,18?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169033
PNG
(CHEMBL3806069)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2ccc(cc2)C#N)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C26H25N3O7S/c27-14-16-9-11-20(12-10-16)37(34,35)28-15-21-23(30)24(31)22(26(33)36-21)29-25(32)19-8-4-7-18(13-19)17-5-2-1-3-6-17/h1-13,21-24,26,28,30-31,33H,15H2,(H,29,32)/t21-,22-,23-,24-,26?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169031
PNG
(CHEMBL3805905)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C25H24Cl2N2O7S/c26-17-10-5-11-19(20(17)27)37(34,35)28-13-18-22(30)23(31)21(25(33)36-18)29-24(32)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12,18,21-23,25,28,30-31,33H,13H2,(H,29,32)/t18-,21-,22-,23-,25?/s2
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of HK2 in human UM-UC-3 cells using 2FDG as substrate assessed as suppression of G6P production preincubated for 30 mins followed by subst...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50103565
PNG
(CHEMBL3335788)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC[C@H]1O[C@@H](O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C22H24Cl2N2O7S/c1-12-2-6-14(7-3-12)34(31,32)25-11-17-20(28)21(29)19(22(30)33-17)26-18(27)9-5-13-4-8-15(23)16(24)10-13/h2-10,17,19-22,25,28-30H,11H2,1H3,(H,26,27)/b9-5+/t17-,19-,20-,21-,22-/s2
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of hexokinase 2 (unknown origin)


Bioorg Med Chem Lett 24: 4915-25 (2014)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169028
PNG
(CHEMBL3805598)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C25H25ClN2O7S/c26-18-10-5-11-19(13-18)36(33,34)27-14-20-22(29)23(30)21(25(32)35-20)28-24(31)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,20-23,25,27,29-30,32H,14H2,(H,28,31)/t20-,21-,22-,23-,25?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169041
PNG
(CHEMBL3805653)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C24H24Cl2N2O8S2/c25-17-10-5-11-19(20(17)26)38(34,35)27-13-18-22(29)23(30)21(24(31)36-18)28-37(32,33)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12,18,21-24,27-31H,13H2/t18-,21-,22-,23-,24?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of HK2 in human UM-UC-3 cells using 2FDG as substrate assessed as suppression of G6P production preincubated for 30 mins followed by subst...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169046
PNG
(CHEMBL3805459)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1/C16H17Cl3N2O8S3/c17-7-2-1-3-9(12(7)19)31(25,26)20-6-8-14(22)15(23)13(16(24)29-8)21-32(27,28)11-5-4-10(18)30-11/h1-5,8,13-16,20-24H,6H2/t8-,13-,14-,15-,16?/s2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of HK2 in human UM-UC-3 cells using 2FDG as substrate assessed as suppression of G6P production preincubated for 30 mins followed by subst...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169036
PNG
(CHEMBL3806028)
Show SMILES COC(=O)c1cc(oc1C)S(=O)(=O)NC[C@H]1OC(O)[C@H](NC(=O)c2cccc(Br)c2)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C20H23BrN2O10S/c1-9-12(19(27)31-2)7-14(32-9)34(29,30)22-8-13-16(24)17(25)15(20(28)33-13)23-18(26)10-4-3-5-11(21)6-10/h3-7,13,15-17,20,22,24-25,28H,8H2,1-2H3,(H,23,26)/t13-,15-,16-,17-,20?/s2
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n/an/a 630n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169023
PNG
(CHEMBL3805753)
Show SMILES OC1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C25H26N2O7S/c28-22-20(15-26-35(32,33)19-12-5-2-6-13-19)34-25(31)21(23(22)29)27-24(30)18-11-7-10-17(14-18)16-8-3-1-4-9-16/h1-14,20-23,25-26,28-29,31H,15H2,(H,27,30)/t20-,21-,22-,23-,25?/s2
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n/an/a 790n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169017
PNG
(CHEMBL3804930)
Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(cc2)C#N)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C21H19F3N2O6/c22-21(23,24)14-6-12(11-3-1-10(8-25)2-4-11)5-13(7-14)19(30)26-16-18(29)17(28)15(9-27)32-20(16)31/h1-7,15-18,20,27-29,31H,9H2,(H,26,30)/t15-,16-,17-,18-,20?/s2
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n/an/a 790n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169025
PNG
(CHEMBL3806250)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC[C@H]1OC(O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C22H24Cl2N2O7S/c1-12-2-6-14(7-3-12)34(31,32)25-11-17-20(28)21(29)19(22(30)33-17)26-18(27)9-5-13-4-8-15(23)16(24)10-13/h2-10,17,19-22,25,28-30H,11H2,1H3,(H,26,27)/b9-5+/t17-,19-,20-,21-,22?/s2
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169019
PNG
(CHEMBL3805765)
Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C13H15N3O10/c17-4-8-10(18)11(19)9(13(21)26-8)14-12(20)5-1-6(15(22)23)3-7(2-5)16(24)25/h1-3,8-11,13,17-19,21H,4H2,(H,14,20)/t8-,9-,10-,11-,13?/s2
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169015
PNG
(CHEMBL3805460)
Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)c2cccc(c2)-c2ccccc2)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C19H21NO6/c21-10-14-16(22)17(23)15(19(25)26-14)20-18(24)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-17,19,21-23,25H,10H2,(H,20,24)/t14-,15-,16-,17-,19?/s2
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n/an/a 3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169013
PNG
(CHEMBL3805703)
Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C15H17Cl2NO6/c16-8-3-1-7(5-9(8)17)2-4-11(20)18-12-14(22)13(21)10(6-19)24-15(12)23/h1-5,10,12-15,19,21-23H,6H2,(H,18,20)/b4-2+/t10-,12-,13-,14-,15?/s2
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n/an/a 6.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169018
PNG
(CHEMBL3804924)
Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)C=C2CCC(CC2)C(F)(F)F)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C15H22F3NO6/c16-15(17,18)8-3-1-7(2-4-8)5-10(21)19-11-13(23)12(22)9(6-20)25-14(11)24/h5,8-9,11-14,20,22-24H,1-4,6H2,(H,19,21)/b7-5-/t8?,9-,11-,12-,13-,14?/s2
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n/an/a 1.60E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169014
PNG
(CHEMBL3806183)
Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)c2ccc(cc2)-c2ccccc2)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C19H21NO6/c21-10-14-16(22)17(23)15(19(25)26-14)20-18(24)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-17,19,21-23,25H,10H2,(H,20,24)/t14-,15-,16-,17-,19?/s2
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n/an/a 1.60E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169022
PNG
(CHEMBL3805752)
Show SMILES OC[C@H]1OC[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C15H17Cl2NO5/c16-9-3-1-8(5-10(9)17)2-4-13(20)18-11-7-23-12(6-19)15(22)14(11)21/h1-5,11-12,14-15,19,21-22H,6-7H2,(H,18,20)/b4-2+/t11-,12+,14+,15+/s2
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n/an/a>4.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair
Hexokinase-2


(Homo sapiens)
BDBM50169020
PNG
(CHEMBL3805806)
Show SMILES COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)\C=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C16H19Cl2NO6/c1-24-16-13(15(23)14(22)11(7-20)25-16)19-12(21)5-3-8-2-4-9(17)10(18)6-8/h2-6,11,13-16,20,22-23H,7H2,1H3,(H,19,21)/b5-3+/t11-,13-,14-,15-,16?/s2
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n/an/a>4.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...


ACS Med Chem Lett 7: 217-22 (2016)

More data for this
Ligand-Target Pair